Materials Data on Ba2La4CuPtO10 by Materials Project

doi:10.17188/1687626

Title: Materials Data on Ba2La4CuPtO10 by Materials Project

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Abstract

Ba2La4PtCuO10 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.98–3.05 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.69 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.66 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four La3+ atoms to form OBa2La4 octahedra that share corners with fourteen OBa2La4 octahedra and faces with four equivalent OBa2La3Pt octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to twomore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1228518

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Ba2La4CuPtO10; Ba-Cu-La-O-Pt

OSTI Identifier:: 1687626

DOI:: https://doi.org/10.17188/1687626

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                    The Materials Project. Materials Data on Ba2La4CuPtO10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687626.

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                    The Materials Project. Materials Data on Ba2La4CuPtO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687626

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                    The Materials Project. 2019.  
"Materials Data on Ba2La4CuPtO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687626.  https://www.osti.gov/servlets/purl/1687626. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1687626,

  title        = {Materials Data on Ba2La4CuPtO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2La4PtCuO10 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.98–3.05 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.69 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.66 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four La3+ atoms to form OBa2La4 octahedra that share corners with fourteen OBa2La4 octahedra and faces with four equivalent OBa2La3Pt octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three La3+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent Ba2+, three La3+, and one Pt2+ atom to form distorted OBa2La3Pt octahedra that share corners with nine OBa2La4 octahedra, an edgeedge with one OBa2La3Pt octahedra, and faces with five OBa2La4 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},

  doi          = {10.17188/1687626},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1687626

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